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Compile Data Set for Download or QSAR

Found 995 hits with Last Name = 'sato' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240130
PNG
(CHEMBL4060961)
PDB
MMDB

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30n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240124
PNG
(CHEMBL4090728)
PDB
MMDB

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40n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240122
PNG
(CHEMBL4103690)
PDB
MMDB

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60n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50314948
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1
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82n/an/an/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240126
PNG
(CHEMBL4105288)
PDB
MMDB

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98n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50158884
PNG
(CHEMBL3785550)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1/C51H87N17O10/c1-29(2)26-36(46(75)67-40(30(3)4)48(77)62-34(19-12-24-60-51(56)57)43(72)63-35(16-8-9-21-52)49(78)68-25-13-20-39(68)41(53)70)64-45(74)37(27-31-14-6-5-7-15-31)65-47(76)38(28-69)66-44(73)33(18-11-23-59-50(54)55)61-42(71)32-17-10-22-58-32/h5-7,14-15,29-30,32-40,58,69H,8-13,16-28,52H2,1-4H3,(H2,53,70)(H,61,71)(H,62,77)(H,63,72)(H,64,74)(H,65,76)(H,66,73)(H,67,75)(H4,54,55,59)(H4,56,57,60)/t32-,33-,34-,35-,36-,37-,38-,39-,40-/s2
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140n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged LSD1 (171 to 836 residues)/GST-tagged CoREST (308 to 440 residues) complex using H3K4 peptide substrate by...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240123
PNG
(CHEMBL4085763)
PDB
MMDB

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290n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240121
PNG
(CHEMBL4089148)
PDB
MMDB

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380n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240129
PNG
(CHEMBL4080345)
PDB
MMDB

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1.40E+3n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50210048
PNG
(CHEMBL3884919)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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1.60E+3n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158884
PNG
(CHEMBL3785550)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1/C51H87N17O10/c1-29(2)26-36(46(75)67-40(30(3)4)48(77)62-34(19-12-24-60-51(56)57)43(72)63-35(16-8-9-21-52)49(78)68-25-13-20-39(68)41(53)70)64-45(74)37(27-31-14-6-5-7-15-31)65-47(76)38(28-69)66-44(73)33(18-11-23-59-50(54)55)61-42(71)32-17-10-22-58-32/h5-7,14-15,29-30,32-40,58,69H,8-13,16-28,52H2,1-4H3,(H2,53,70)(H,61,71)(H,62,77)(H,63,72)(H,64,74)(H,65,76)(H,66,73)(H,67,75)(H4,54,55,59)(H4,56,57,60)/t32-,33-,34-,35-,36-,37-,38-,39-,40-/s2
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1.90E+3n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50358310
PNG
(CHEMBL1922539)
Show SMILES CC\C=C1/C[C@H]2CNc3ccccc3C(=O)N2C1 |r|
Show InChI InChI=1S/C15H18N2O/c1-2-5-11-8-12-9-16-14-7-4-3-6-13(14)15(18)17(12)10-11/h3-7,12,16H,2,8-10H2,1H3/b11-5+/t12-/m0/s1
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5.24E+3n/an/an/an/an/an/an/an/a



Nippon Suisan Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2B receptor expressed in cos-7 cells assessed as [3H]5-HT uptake after 120 mins


Bioorg Med Chem Lett 21: 7099-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.086
BindingDB Entry DOI: 10.7270/Q20Z73QK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50358309
PNG
(CHEMBL1922538)
Show SMILES COc1cccc2c1NC[C@@H]1C\C(CN1C2=O)=C/C |r|
Show InChI InChI=1S/C15H18N2O2/c1-3-10-7-11-8-16-14-12(15(18)17(11)9-10)5-4-6-13(14)19-2/h3-6,11,16H,7-9H2,1-2H3/b10-3+/t11-/m0/s1
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5.38E+3n/an/an/an/an/an/an/an/a



Nippon Suisan Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2B receptor expressed in cos-7 cells assessed as [3H]5-HT uptake after 120 mins


Bioorg Med Chem Lett 21: 7099-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.086
BindingDB Entry DOI: 10.7270/Q20Z73QK
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240131
PNG
(CHEMBL4083113)
PDB
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6.30E+3n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50358308
PNG
(CHEMBL1922537)
Show SMILES CC\C=C1/C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 |r|
Show InChI InChI=1S/C16H20N2O2/c1-3-5-11-8-12-9-17-15-13(16(19)18(12)10-11)6-4-7-14(15)20-2/h4-7,12,17H,3,8-10H2,1-2H3/b11-5+/t12-/m0/s1
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7.89E+3n/an/an/an/an/an/an/an/a



Nippon Suisan Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2B receptor expressed in cos-7 cells assessed as [3H]5-HT uptake after 120 mins


Bioorg Med Chem Lett 21: 7099-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.086
BindingDB Entry DOI: 10.7270/Q20Z73QK
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240118
PNG
(CHEMBL4096854)
PDB
MMDB

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9.80E+3n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50210048
PNG
(CHEMBL3884919)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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3.70E+4n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50210048
PNG
(CHEMBL3884919)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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4.40E+4n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240125
PNG
(CHEMBL4081282)
PDB
MMDB

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1.70E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50210049
PNG
(CHEMBL3885101)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CO)C(N)=O |r|
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1.90E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50210050
PNG
(CHEMBL3884529)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCCCCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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>3.00E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50210050
PNG
(CHEMBL3884529)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCCCCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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>3.00E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll...


Bioorg Med Chem 25: 1227-1234 (2017)


Article DOI: 10.1016/j.bmc.2016.12.033
BindingDB Entry DOI: 10.7270/Q2X92D9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240120
PNG
(CHEMBL4099300)
PDB
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>5.00E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240119
PNG
(CHEMBL4104579)
PDB
MMDB

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>5.00E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240117
PNG
(CHEMBL4069633)
PDB
MMDB

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>5.00E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240116
PNG
(CHEMBL4081041)
PDB
MMDB

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>5.00E+5n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL




Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067317
PNG
(CHEMBL553614 | N-({[2,4-Dichloro-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C32H29Cl2N5O4/c1-20-8-11-22-5-3-6-26(32(22)37-20)43-19-23-24(33)12-13-25(31(23)34)38(2)30(42)18-36-28(40)15-10-21-9-14-27(35-17-21)39-16-4-7-29(39)41/h3,5-6,8-15,17H,4,7,16,18-19H2,1-2H3,(H,36,40)/b15-10+
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067317
PNG
(CHEMBL553614 | N-({[2,4-Dichloro-3-(2-methyl-quino...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C32H29Cl2N5O4/c1-20-8-11-22-5-3-6-26(32(22)37-20)43-19-23-24(33)12-13-25(31(23)34)38(2)30(42)18-36-28(40)15-10-21-9-14-27(35-17-21)39-16-4-7-29(39)41/h3,5-6,8-15,17H,4,7,16,18-19H2,1-2H3,(H,36,40)/b15-10+
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
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Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067929
PNG
(4-(2-{[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloyl...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(C(=O)N(C)C)c(COc3cccc4ccc(C)nc34)c2C(=O)N(C)C)cc1
Show InChI InChI=1S/C40H42N6O5/c1-26-13-17-28-10-8-12-34(37(28)42-26)51-25-32-31(39(49)44(4)5)20-21-33(36(32)40(50)45(6)7)46-23-9-11-30(46)24-41-35(47)22-16-27-14-18-29(19-15-27)38(48)43(2)3/h8-23H,24-25H2,1-7H3,(H,41,47)/b22-16+
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Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067930
PNG
(4-[(E)-2-({1-[2,4-Dichloro-3-(2-methyl-quinolin-8-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C33H28Cl2N4O3/c1-21-8-12-23-5-3-7-29(32(23)38-21)42-20-26-27(34)15-16-28(31(26)35)39-18-4-6-25(39)19-37-30(40)17-11-22-9-13-24(14-10-22)33(41)36-2/h3-18H,19-20H2,1-2H3,(H,36,41)(H,37,40)/b17-11+
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Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067263
PNG
(5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C28H25BrCl2N6O4/c1-16-26(29)37-12-4-5-22(27(37)35-16)41-15-18-19(30)8-10-21(25(18)31)36(3)24(39)14-34-23(38)11-7-17-6-9-20(33-13-17)28(40)32-2/h4-13H,14-15H2,1-3H3,(H,32,40)(H,34,38)/b11-7+
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067263
PNG
(5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C28H25BrCl2N6O4/c1-16-26(29)37-12-4-5-22(27(37)35-16)41-15-18-19(30)8-10-21(25(18)31)36(3)24(39)14-34-23(38)11-7-17-6-9-20(33-13-17)28(40)32-2/h4-13H,14-15H2,1-3H3,(H,32,40)(H,34,38)/b11-7+
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Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067923
PNG
(3-(6-Acetylamino-pyridin-3-yl)-N-{1-[2,4-bis-acety...)
Show SMILES CC(=O)Nc1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(NC(C)=O)c(COc3cccc4ccc(C)nc34)c2NC(C)=O)cn1
Show InChI InChI=1S/C36H35N7O5/c1-22-10-13-27-7-5-9-32(35(27)39-22)48-21-29-30(40-23(2)44)14-15-31(36(29)42-25(4)46)43-18-6-8-28(43)20-38-34(47)17-12-26-11-16-33(37-19-26)41-24(3)45/h5-19H,20-21H2,1-4H3,(H,38,47)(H,40,44)(H,42,46)(H,37,41,45)/b17-12+
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n/an/a 0.370n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067242
PNG
(3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(3-bromo-2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
Show InChI InChI=1S/C28H25BrCl2N6O4/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38)/b11-7+
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n/an/a 0.380n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067242
PNG
(3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(3-bromo-2-m...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
Show InChI InChI=1S/C28H25BrCl2N6O4/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38)/b11-7+
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n/an/a 0.380n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067929
PNG
(4-(2-{[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloyl...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(C(=O)N(C)C)c(COc3cccc4ccc(C)nc34)c2C(=O)N(C)C)cc1
Show InChI InChI=1S/C40H42N6O5/c1-26-13-17-28-10-8-12-34(37(28)42-26)51-25-32-31(39(49)44(4)5)20-21-33(36(32)40(50)45(6)7)46-23-9-11-30(46)24-41-35(47)22-16-27-14-18-29(19-15-27)38(48)43(2)3/h8-23H,24-25H2,1-7H3,(H,41,47)/b22-16+
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n/an/a 0.410n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117238
PNG
(5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 0.410n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067917
PNG
((E)-N-{1-[3-(2-Methyl-quinolin-8-yloxymethyl)-2,4-...)
Show SMILES Cc1ccc2cccc(OCc3c(ccc(c3N3CCCC3=O)-n3cccc3CNC(=O)\C=C\c3ccc(cc3)N3CCCC3=O)N3CCCC3=O)c2n1
Show InChI InChI=1S/C43H42N6O5/c1-29-13-17-31-7-2-9-37(42(31)45-29)54-28-34-35(48-25-5-11-40(48)52)20-21-36(43(34)49-26-6-12-41(49)53)46-23-3-8-33(46)27-44-38(50)22-16-30-14-18-32(19-15-30)47-24-4-10-39(47)51/h2-3,7-9,13-23H,4-6,10-12,24-28H2,1H3,(H,44,50)/b22-16+
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n/an/a 0.410n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067248
PNG
(5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin...)
Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1
Show InChI InChI=1S/C29H27BrCl2N6O4/c1-17-27(30)38-13-5-6-23(28(38)35-17)42-16-19-20(31)9-11-22(26(19)32)37(4)25(40)15-34-24(39)12-8-18-7-10-21(33-14-18)29(41)36(2)3/h5-14H,15-16H2,1-4H3,(H,34,39)/b12-8+
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n/an/a 0.440n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4053-61 (1998)


Article DOI: 10.1021/jm980214f
BindingDB Entry DOI: 10.7270/Q2WQ04GV
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067301
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
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n/an/a 0.460n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067301
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
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n/an/a 0.460n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067301
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
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Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067305
PNG
((E)-N-({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxy...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C
Show InChI InChI=1S/C35H36N4O4/c1-23-10-18-30(25(3)29(23)22-43-31-8-5-7-27-15-11-24(2)37-35(27)31)38(4)34(42)21-36-32(40)19-14-26-12-16-28(17-13-26)39-20-6-9-33(39)41/h5,7-8,10-19H,6,9,20-22H2,1-4H3,(H,36,40)/b19-14+
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n/an/a 0.470n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50403371
PNG
(Firazyr | HOE-140 | ICATIBANT)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition specific binding of [3H]BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067283
PNG
((E)-3-(4-Acetylamino-phenyl)-N-({[2,4-dichloro-3-(...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)cc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-22-5-4-6-27(31(22)35-19)41-18-24-25(32)14-15-26(30(24)33)37(3)29(40)17-34-28(39)16-10-21-8-12-23(13-9-21)36-20(2)38/h4-16H,17-18H2,1-3H3,(H,34,39)(H,36,38)/b16-10+
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n/an/a 0.5n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
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